dimethylcarbamoyl 2-phenylbenzoate

C16H15NO3 — CID 143517009

IUPACdimethylcarbamoyl 2-phenylbenzoate
SMILESCN(C)C(=O)OC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H15NO3/c1-17(2)16(19)20-15(18)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyFUORBDHMYGRXAQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.19
Rot. Bonds2

About dimethylcarbamoyl 2-phenylbenzoate

dimethylcarbamoyl 2-phenylbenzoate (PubChem CID 143517009) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is dimethylcarbamoyl 2-phenylbenzoate.

Molecular Properties

Compound Namedimethylcarbamoyl 2-phenylbenzoate
PubChem CID143517009
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namedimethylcarbamoyl 2-phenylbenzoate
SMILESCN(C)C(=O)OC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H15NO3/c1-17(2)16(19)20-15(18)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyFUORBDHMYGRXAQ-UHFFFAOYSA-N
XLogP3.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2,3-dihydroxy-4-oxo-4-(2-phenylbenzoyl)oxybutanoic acid;hydrate
CID 141300384
2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate
CID 23024567
(3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate
CID 955183
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-phenylbenzamide
CID 68727641
[[4-(dimethylamino)benzoyl]-methylamino] 2-(4-phenylphenyl)benzoate
CID 174601951
acetylene;2-phenylbenzoic acid
CID 67726329
carboxy 4-methyl-2-phenylbenzoate
CID 87382013
benzoic acid;ethane;bis(2-phenylbenzoic acid)
CID 158851382
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid
CID 70600588
2-oxo-2-(2-phenylphenyl)acetyl chloride
CID 87185845
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255

Frequently Asked Questions

What is the IUPAC name of dimethylcarbamoyl 2-phenylbenzoate?
The IUPAC name of dimethylcarbamoyl 2-phenylbenzoate (CID 143517009) is dimethylcarbamoyl 2-phenylbenzoate.
What is the SMILES notation for dimethylcarbamoyl 2-phenylbenzoate?
The canonical SMILES for dimethylcarbamoyl 2-phenylbenzoate is CN(C)C(=O)OC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of dimethylcarbamoyl 2-phenylbenzoate?
The InChIKey is FUORBDHMYGRXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17(2)16(19)20-15(18)14-11-7-6-10-13(14)12-8-4-3-5-9-12/h3-11H,1-2H3.
What are the key properties of dimethylcarbamoyl 2-phenylbenzoate?
dimethylcarbamoyl 2-phenylbenzoate has a molecular weight of 269.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylcarbamoyl 2-phenylbenzoate is sourced from PubChem (CID 143517009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).